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Compound Detail

CHEMBL1197985

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CN1/C(=C/c2cccc[n+]2CCO)Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197985
Phase Preclinical
Structure Type MOL
InChI Key LJXKUMLQMMBFLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
2.51
ALogP
3
HBA
1
HBD
27.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N2OS+
MW 285.39
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine